6-Chlorochroman-4-one

HCID 95273
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
37674-72-9
Standard SMILES
O=C1CCOc2ccc(Cl)cc21
InChIKey
LLTDYHFVIVSQPJ-UHFFFAOYSA-N
Molecular formula
C9H7ClO2
Average molar mass
182.6 g/mol
Monoisotopic mass
182.01345714

Names & identifiers

Preferred name
6-Chlorochroman-4-one
IUPAC
6-chloro-2,3-dihydrochromen-4-one
English name
6-CHLOROCHROMAN-4-ONE
Molecular formula
C9H7ClO2
Molecular weight
182.6

Names & synonyms

6-Chlorochroman-4-oneDTXSID00191109EINECS 253-611-1NSC 26783RefChem:541917DTXCID60113600253-611-137674-72-96-Chloro-4-chromanone6-chloro-2,3-dihydrochromen-4-one6-Chloro chroman-4-oneMFCD00024070
Show more names
6-Chloro-4-chromBUTTPARK 35\07-326-CHLOROCHROMANONETIMTEC-BB SBB0037326-Chloro-4-chromanone-16-Chloro-4-chroManone 97%6-Chloro-4-chromanone >
4H-1-Benzopyran-4-one, 6-chloro-2,3-dihydro-6-CHLORO-2,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONEUNII-47JVC4GE87SCHEMBL6967047JVC4GE87HMS1668L05NSC-26783C1968

Database identifiers

CAS
37674-72-9
PubChem CID
95273
DTXSID
DTXSID00191109
UNII
47JVC4GE87
EC Number
253-611-1
Nikkaji
J261.222D

Properties

Computed structural properties

XLogP
2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
97 · 97-102 °C(lit.)
Boiling point
322 · 322.0±42.0 °C(Predicted)
Density
1.345 · 1.345±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
Soluble in solvents.
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
hs_code
29329990
risk_code
22-36/37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses6-Chlorochroman-4-one is used as chemical, organic intermediates for pharmaceuticals.

Upstream & downstream products

Upstream raw materials

Downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

Loading…